(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide

C16H32N2O — CID 106011625

IUPAC(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NCCCC1CCCC1
InChIInChI=1S/C16H32N2O/c1-13(2)10-15(12-17)11-16(19)18-9-5-8-14-6-3-4-7-14/h13-15H,3-12,17H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyKKNBSJWOLXRMEB-HNNXBMFYSA-N
MW268.44 g/mol
LogP3.08
Rot. Bonds9

About (3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide

(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide (PubChem CID 106011625) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
PubChem CID106011625
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NCCCC1CCCC1
InChIInChI=1S/C16H32N2O/c1-13(2)10-15(12-17)11-16(19)18-9-5-8-14-6-3-4-7-14/h13-15H,3-12,17H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyKKNBSJWOLXRMEB-HNNXBMFYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide
CID 107842492
(2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride
CID 119724237
3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310633
(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide
CID 83110554
3-amino-N-(3-cyclopropylpropyl)butanamide
CID 115740565
5-[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]-2-methylpentanoic acid
CID 103870685
3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide
CID 106135609
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
N-(1-amino-4-methylpentan-2-yl)-4-cyclopentylbutanamide;hydrochloride
CID 119588873
3-(aminomethyl)-N-(2-cyclopropylethyl)pentanamide
CID 81080317
4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one
CID 116576928
4-amino-N-(3-cyclohexylpropyl)pentanamide;hydrochloride
CID 120560365

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide (CID 106011625) is (3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide is CC(C)C[C@H](CN)CC(=O)NCCCC1CCCC1.
What is the InChIKey of (3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide?
The InChIKey is KKNBSJWOLXRMEB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)10-15(12-17)11-16(19)18-9-5-8-14-6-3-4-7-14/h13-15H,3-12,17H2,1-2H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide?
(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide has a molecular weight of 268.44 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide is sourced from PubChem (CID 106011625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).